1-methyl-1-[(3-nitrophenyl)methyl]-3-pentyl-urea

Systemtic Name: 1-methyl-1-[(3-nitrophenyl)methyl]-3-pentyl-urea Openeye Name: 1-methyl-1-[(3-nitrophenyl)methyl]-3-pentyl-urea CAS Name: 1-methyl-1-[(3-nitrophenyl)methyl]-3-pentylurea IUPAC Name: 1-methyl-1-[(3-nitrophenyl)methyl]-3-pentylurea Traditional Name: 3-amyl-1-methyl-1-(3-nitrobenzyl)urea Formula: C14H21N3O3 MolecularWeight: 279.33484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)N(C)CC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCNC(=O)N(C)CC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O3/c1-3-4-5-9-15-14(18)16(2)11-12-7-6-8-13(10-12)17(19)20/h6-8,10H,3-5,9,11H2,1-2H3,(H,15,18)